SCHEMBL7699427

SCHEMBL7699427

COc1ccccc1CNC(=O)c1nc(-c2ccccc2-c2ccccc2)oc1-c1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 2/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 5/20 0.45
PDE4B Q07343 1/20 0.44
PDE11A Q9HCR9 1/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7700011 0.93 HTT (0.53) HTTPOLBALDH1A1HPGDTP53
SCHEMBL7695429 0.91 ADORA2A (0.39) HTTALDH1A1HPGDPDE4BPDE11A
SCHEMBL7696355 0.86 MAPT (0.46) POLBALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL7694391 0.85 CNR1 (0.46) HPGDLMNACYP1A2CYP2D6CYP2C19
SCHEMBL7699719 0.84 MAPT (0.46) HTTALDH1A1HPGDTP53LMNA
SCHEMBL7695824 0.83 ALDH1A1 (0.45) HTTALDH1A1HPGDTP53LMNA
SCHEMBL7699884 0.81 HPGD (0.42) POLBALDH1A1HPGDTP53LMNA
SCHEMBL7701529 0.80 POLB (0.52) HTTPOLBALDH1A1HPGDTP53
SCHEMBL7698104 0.79 MAPT (0.51) POLBALDH1A1HPGDTP53LMNA
SCHEMBL7701239 0.79 MAPT (0.60) HTTPOLBALDH1A1HPGDTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed